4-chloranyl-2-methylsulfanyl-6-(3-phenylmethoxyphenyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-chloranyl-2-methylsulfanyl-6-(3-phenylmethoxyphenyl)pyrimidine-5-carbonitrile Openeye Name: 4-(3-benzyloxyphenyl)-6-chloro-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-chloro-2-(methylthio)-6-(3-phenylmethoxyphenyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-chloro-2-methylsulfanyl-6-(3-phenylmethoxyphenyl)pyrimidine-5-carbonitrile Traditional Name: 4-(3-benzoxyphenyl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile Formula: C19H14ClN3OS MolecularWeight: 367.85196

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)Cl)C#N)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)Cl)C#N)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C19H14ClN3OS/c1-25-19-22-17(16(11-21)18(20)23-19)14-8-5-9-15(10-14)24-12-13-6-3-2-4-7-13/h2-10H,12H2,1H3